General Information of the Compound
Compound ID
CP0569467
Compound Name
N-cyclopropyl-11-(3-ethoxy-5-pentylphenoxy)undecanamide
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Structure
Formula
C27H45NO3
Molecular Weight
431.661
Canonical SMILES
CCCCCc1cc(OCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
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InChI
InChI=1S/C27H45NO3/c1-3-5-12-15-23-20-25(30-4-2)22-26(21-23)31-19-14-11-9-7-6-8-10-13-16-27(29)28-24-17-18-24/h20-22,24H,3-19H2,1-2H3,(H,28,29)
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InChIKey
IIUUSRKKXMTJCI-UHFFFAOYSA-N
Physicochemical Property
logP
6.9863
Rotatable Bonds
19
Heavy Atom Count
31
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 156015510
ChEMBL ID
CHEMBL4640400
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 11.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 6.7 nM
   TI
   LI
   LO
   TS